Pentanol, 4-methyl-4-nitro-

HCID 228070
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Basic information

CAS
5215-92-9
Standard SMILES
CC(C)(CCCO)[N+](=O)[O-]
InChIKey
DBYMNHYVMTWSLQ-UHFFFAOYSA-N
Molecular formula
C6H13NO3
Average molar mass
147.17 g/mol
Monoisotopic mass
147.08954328

Names & identifiers

Preferred name
Pentanol, 4-methyl-4-nitro-
IUPAC
4-methyl-4-nitropentan-1-ol

Names & synonyms

5215-92-9Pentanol, 4-methyl-4-nitro-DTXSID80281178RefChem:368237DTXCID30232332DBYMNHYVMTWSLQ-UHFFFAOYSA-N4-methyl-4-nitropentan-1-olMFCD008542204-Methyl-4-nitro-1-pentanol4-methyl-4-nitro-pentan-1-olNSC206684-methyl-4-nitropentanol
Show more names
SCHEMBL18532154-Methyl-4-nitro-1-pentanol #ALBB-030910NSC-20668AKOS030214837LS-11065DB-195830H45509

Database identifiers

CAS
5215-92-9
PubChem CID
228070
DTXSID
DTXSID80281178

Properties

Computed structural propertiesFilling in

XLogP
0.6
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
10

Related reactions

17 records
New reaction record

Compound notes

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